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14735-11-6 | Piperidine, 1-[3-[3-(4-chlorophenyl)-5-isoxazolyl]propyl]-
CAS No: 14735-11-6 Catalog No: AG001ETX MDL No:
Product Description
Catalog Number:
AG001ETX
Chemical Name:
Piperidine, 1-[3-[3-(4-chlorophenyl)-5-isoxazolyl]propyl]-
CAS Number:
14735-11-6
Molecular Formula:
C17H21ClN2O
Molecular Weight:
304.8144
IUPAC Name:
3-(4-chlorophenyl)-5-(3-piperidin-1-ylpropyl)-1,2-oxazole
InChI:
InChI=1S/C17H21ClN2O/c18-15-8-6-14(7-9-15)17-13-16(21-19-17)5-4-12-20-10-2-1-3-11-20/h6-9,13H,1-5,10-12H2
InChI Key:
KWQSUWUGDDVAJI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(c1)CCCN1CCCCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.818g/mol
Monoisotopic Mass:
304.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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